2,5-diazabicyclo[2.2.1]heptane;dihydrochloride - ≥97% , CAS No.89487-38-7

CAS: 89487-38-7 Cat. No.: D635001 PubChem CID: 67696715

GRADE & PURITY ≥97%

Synonyms

2,5-Diazabicyclo[2.2.1]heptane dihydrochloride | 89487-38-7 | 2,5-Diaza-bicyclo[2.2.1]heptane dihydrochloride | 2,5-diazabicyclo[2.2.1]heptane | dihydrochloride | (1R,4R)-2,5-Diaza-bicyclo[2.2.1]heptanedihydrochloride | SCHEMBL8805045 | AKOS027383919 | SB

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

2, 5-Diazabicyclo[2.2.1]heptane dihydrochloride | 89487-38-7 | 2, 5-Diaza-bicyclo[2.2.1]heptane dihydrochloride | 2, 5-diazabicyclo[2.2.1]heptane | dihydrochloride | (1R, 4R)-2, 5-Diaza-bicyclo[2.2.1]heptanedihydrochloride | SCHEMBL8805045 | AKOS027383919 | SB

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1C2CNC1CN2.Cl.Cl
• IUPAC Name: 2,5-diazabicyclo[2.2.1]heptane;dihydrochloride
• InChIKey: PIDOCGDMKRSJMT-UHFFFAOYSA-N
• INCHI: 1S/C5H10N2.2ClH/c1-4-2-6-5(1)3-7-4;;/h4-7H,1-3H2;2*1H
• Isomeric SMILES: C1C2CNC1CN2.Cl.Cl
• PubChem CID: 67696715

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperazines
• Alternative Parents: Pyrrolidines Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Piperazine - Pyrrolidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Amine - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as piperazines. These are compounds containing a piperazine ring, which is a saturated aliphatic six-member heterocyclic with two nitrogen atoms at positions 1 and 4, as well as four carbon atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 171.070 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 170.038 Da
• Monoisotopic Mass: 170.038 Da
• Topological Polar Surface Area: 24.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 72.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3